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Accelerating Crystal Structure Prediction of Organic Salts via Machine Learning
https://doi.org/10.18126/ac06-tft6
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Dataset for "Accelerating Crystal Structure Prediction of Organic Salts via Machine Learning"
Ethan P. Shapera
Dejan-Kresimir Bucar
Rohit P. Prasankumar
Christoph Heil
Ethan P. Shapera (ethan.shapera@tugraz.at)
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DOI registered
July 3, 2023
via DataCite
Dataset published 2023 in
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